4JSC
The 2.5A crystal structure of humanized Xenopus MDM2 with RO5316533 - a pyrrolidine MDM2 inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-12-10 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 75.490, 73.720, 40.968 |
| Unit cell angles | 90.00, 108.44, 90.00 |
Refinement procedure
| Resolution | 35.810 - 2.500 |
| R-factor | 0.316 |
| Rwork | 0.312 |
| R-free | 0.37000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.200 |
| Data reduction software | CrystalClear |
| Data scaling software | d*TREK |
| Phasing software | MOLREP |
| Refinement software | CNX (2005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.810 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.121 | 0.429 |
| Number of reflections | 8382 | |
| <I/σ(I)> | 5.9 | 1.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.56 | 3.61 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 278 | 50% SATURATED AMMONIUM SULFATE, 0.1M BIS-TRIS, PH 6.0, 5% PEG 550MME, 5mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 278K |
